5-amino-2-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide

C11H14N4O3S — CID 61285259

IUPAC5-amino-2-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)NCc1ccn[nH]1
InChIInChI=1S/C11H14N4O3S/c1-18-10-3-2-8(12)6-11(10)19(16,17)14-7-9-4-5-13-15-9/h2-6,14H,7,12H2,1H3,(H,13,15)
InChIKeyONJHLNSFXHAZFQ-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.48
Rot. Bonds5

About 5-amino-2-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide

5-amino-2-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide (PubChem CID 61285259) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 5-amino-2-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
PubChem CID61285259
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name5-amino-2-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)NCc1ccn[nH]1
InChIInChI=1S/C11H14N4O3S/c1-18-10-3-2-8(12)6-11(10)19(16,17)14-7-9-4-5-13-15-9/h2-6,14H,7,12H2,1H3,(H,13,15)
InChIKeyONJHLNSFXHAZFQ-UHFFFAOYSA-N
XLogP0.48
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 81438616
5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 29273557
5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide
CID 43545898
5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide
CID 61113453
5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 63829495
5-amino-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 29033942
5-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methoxybenzenesulfonamide
CID 61128154
5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzenesulfonamide
CID 106368983
4-amino-2,6-dibromo-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 61284272
5-amino-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide
CID 103460090
methyl 3-[(5-amino-2-methoxyphenyl)sulfonylamino]propanoate
CID 43665927
5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 64928024

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide (CID 61285259) is 5-amino-2-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide is COc1ccc(N)cc1S(=O)(=O)NCc1ccn[nH]1.
What is the InChIKey of 5-amino-2-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is ONJHLNSFXHAZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-18-10-3-2-8(12)6-11(10)19(16,17)14-7-9-4-5-13-15-9/h2-6,14H,7,12H2,1H3,(H,13,15).
What are the key properties of 5-amino-2-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
5-amino-2-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 282.32 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61285259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).